Geometry & MOs

Info

ID:	445712
PubChem CID:	135269049
Reduced:	F2N4O4C25H30 (1)
Stoich.:	A2B4C4D25E30 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-224.33
Dipole, Da:	4.16
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-(ethenylamino)-N-methyl-N-(3-nitrosopropyl)-2-propan-2-yloxyimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC2CC(=C(N=C2OC3=CC(=CC=C3)OC(C)(F)F)NC)C(=O)NCCCO

DOS

IR

Vibrations