Geometry & MOs

Info

ID:	370768
PubChem CID:	127340548
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	4.56
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations