Geometry & MOs

Info

ID:	313357
PubChem CID:	126614064
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	52.08
Dipole, Da:	1.86
IP(EA), eV:	-9.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-4-yl] N-[[4-(aminomethyl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CNC(=O)OC2=CN(N=N2)CC3=CC=C(C=C3)CN4C=C(C=N4)C)C)CN

DOS

IR

Vibrations