Geometry & MOs

Info

ID:	75147
PubChem CID:	48423087
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	3.15
IP(EA), eV:	-9.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC=C1)CN2C=CN=C2)OCC3CC3

DOS

IR

Vibrations