Geometry & MOs

Info

ID:	362394
PubChem CID:	127307739
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	3.88
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C(=O)N2CCN(CC2)CC3CN(CCO3)C(C)C

DOS

IR

Vibrations