Geometry & MOs

Info

ID:	322700
PubChem CID:	126670850
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	2.42
IP(EA), eV:	-8.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NC1(CC1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations