Geometry & MOs

Info

ID:	155195
PubChem CID:	56322621
Reduced:	IN2O3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	446.208469
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	4.43
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2I)OC)OC

DOS

IR

Vibrations