Geometry & MOs

Info

ID:	60045
PubChem CID:	26666784
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	429.237604
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	4.95
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)C

DOS

IR

Vibrations