Geometry & MOs

Info

ID:	421829
PubChem CID:	135116691
Reduced:	O5N7C36H47 (1)
Stoich.:	A5B7C36D47 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-163.99
Dipole, Da:	9.24
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(morpholine-4-carbonyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C

DOS

IR

Vibrations