Geometry & MOs

Info

ID:	308258
PubChem CID:	125324978
Reduced:	N4O4C35H36 (1)
Stoich.:	A4B4C35D36 (1)
Weight, g/mol:	385.19026
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	7.93
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(2H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@@H]5N2C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)NC7CCCCCCC7

DOS

IR

Vibrations