Geometry & MOs

Info

ID:	330768
PubChem CID:	127248175
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	11.04
Dipole, Da:	5.55
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)N=CC=C4)NC5=CC(=CC=C5)OC

DOS

IR

Vibrations