Geometry & MOs

Info

ID:	415102
PubChem CID:	135088088
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-38.13
Dipole, Da:	6.19
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-7-[(5-methyl-1H-imidazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=NC=C1)NC2CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations