Geometry & MOs

Info

ID:	367358
PubChem CID:	127324310
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	6.96
IP(EA), eV:	-9.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCNC(=O)CC3C4=CC=CC=C4

DOS

IR

Vibrations