Geometry & MOs

Info

ID:	351536
PubChem CID:	127280424
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-95.19
Dipole, Da:	6.76
IP(EA), eV:	-9.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations