Geometry & MOs

Info

ID:	286790
PubChem CID:	104222386
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	268.143645
ΔH_f, kcal/mol:	80.27
Dipole, Da:	6.2
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(benzotriazol-1-yl)pyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations