Geometry & MOs

Info

ID:	170869
PubChem CID:	75289415
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	494.15287
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	5.61
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)C)NC(=O)CCC(=O)N(C)C)C

DOS

IR

Vibrations