Geometry & MOs

Info

ID:	263687
PubChem CID:	103389240
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	312.216141
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	2.29
IP(EA), eV:	-8.13(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-methoxy-4-(1H-pyrazol-5-ylmethylamino)pentyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C)NC(C)CN

DOS

IR

Vibrations