Geometry & MOs

Info

ID:	234676
PubChem CID:	92303287
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	6.58
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propylurea

Drug info:

PubChemData

Smile

CC(C)NC(=O)N(C[C@H]1CCCO1)CC2=NC=CN2CC3=CC(=CC=C3)OC

DOS

IR

Vibrations