Geometry & MOs

Info

ID:	64441
PubChem CID:	29200648
Reduced:	N4O5C26H32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	6.91
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCNC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations