Geometry & MOs

Info

ID:	183897
PubChem CID:	77088353
Reduced:	O3N5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	321.195346
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	2.46
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC(=N1)N)C(=O)N[C@H]2C[C@H](N(C2)C)C(=O)O

DOS

IR

Vibrations