Geometry & MOs

Info

ID:	328351
PubChem CID:	126700777
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	38.03
Dipole, Da:	4.32
IP(EA), eV:	-8.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-[(E)-1,4-diiminobut-2-en-2-yl]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)N[C@@H](C4CC4)C(=O)N)N=C2C5=CN=NC=C5

DOS

IR

Vibrations