Geometry & MOs

Info

ID:	162172
PubChem CID:	57393831
Reduced:	N5O6C30H33 (1)
Stoich.:	A5B6C30D33 (1)
Weight, g/mol:	381.195346
ΔH_f, kcal/mol:	-188.32
Dipole, Da:	6.14
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyltetrazol-5-yl)methyl]-3,3-diphenylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=N1)C(=O)NNC(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC=CC=C4N2

DOS

IR

Vibrations