Geometry & MOs

Info

ID:	426200
PubChem CID:	135142528
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	3.63
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-[4-(hydroxymethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)[C@H](C)NC2=NC=C3COC(=O)N(C3=N2)CC)N4CCNCC4

DOS

IR

Vibrations