Geometry & MOs

Info

ID:	317653
PubChem CID:	126644836
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	427.200825
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	2.26
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CO[C@H]2CCC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CC=CC(=C4)CN)N)C

DOS

IR

Vibrations