Geometry & MOs

Info

ID:	139987
PubChem CID:	52626862
Reduced:	O2N4C21H29 (1)
Stoich.:	A2B4C21D29 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.933260
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-phenylpropyl]-3-(2-propan-2-yloxyphenyl)urea

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=[NH+]C=C(C=C2)NC(=O)NC[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations